(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate

C10H17NO5 — CID 23164484

IUPAC(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)C1CC(O)CN1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)15-8(13)7-4-6(12)5-11-7/h6-7,11-12H,4-5H2,1-3H3
InChIKeyVWRYIMMXHAHYFN-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.19
Rot. Bonds1

About (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate

(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate (PubChem CID 23164484) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate
PubChem CID23164484
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)C1CC(O)CN1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)15-8(13)7-4-6(12)5-11-7/h6-7,11-12H,4-5H2,1-3H3
InChIKeyVWRYIMMXHAHYFN-UHFFFAOYSA-N
XLogP0.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
acetyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 72698583
(2-methylpropan-2-yl)oxycarbonyl (2S)-piperazine-2-carboxylate
CID 138634649
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl (2S)-2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoate
CID 165351513
tert-butyl 4-cyanopyrrolidine-2-carboxylate
CID 131739554
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate (CID 23164484) is (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate is CC(C)(C)OC(=O)OC(=O)C1CC(O)CN1.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is VWRYIMMXHAHYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)15-8(13)7-4-6(12)5-11-7/h6-7,11-12H,4-5H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate?
(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 23164484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).